6-[5-cyclohexyl-4-(hydroxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one

C24H27F3N4O3 — CID 155884107

IUPAC6-[5-cyclohexyl-4-(hydroxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC1=C(c2nc(CO)c(C3CCCCC3)o2)C(=O)N2NC(C(F)(F)F)C(c3ccccc3)C2N1
InChIInChI=1S/C24H27F3N4O3/c1-13-17(22-29-16(12-32)19(34-22)15-10-6-3-7-11-15)23(33)31-21(28-13)18(14-8-4-2-5-9-14)20(30-31)24(25,26)27/h2,4-5,8-9,15,18,20-21,28,30,32H,3,6-7,10-12H2,1H3
InChIKeyNXWRBRMPYVHWCE-UHFFFAOYSA-N
MW476.50 g/mol
LogP3.94
Rot. Bonds4

About 6-[5-cyclohexyl-4-(hydroxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-[5-cyclohexyl-4-(hydroxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 155884107) has the molecular formula C24H27F3N4O3 and a molecular weight of 476.50 g/mol. Its IUPAC name is 6-[5-cyclohexyl-4-(hydroxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[5-cyclohexyl-4-(hydroxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID155884107
Molecular FormulaC24H27F3N4O3
Molecular Weight476.50 g/mol
Exact Mass476.20
IUPAC Name6-[5-cyclohexyl-4-(hydroxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC1=C(c2nc(CO)c(C3CCCCC3)o2)C(=O)N2NC(C(F)(F)F)C(c3ccccc3)C2N1
InChIInChI=1S/C24H27F3N4O3/c1-13-17(22-29-16(12-32)19(34-22)15-10-6-3-7-11-15)23(33)31-21(28-13)18(14-8-4-2-5-9-14)20(30-31)24(25,26)27/h2,4-5,8-9,15,18,20-21,28,30,32H,3,6-7,10-12H2,1H3
InChIKeyNXWRBRMPYVHWCE-UHFFFAOYSA-N
XLogP3.94
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[5-cyclohexyl-4-(hydroxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

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Related Compounds

CID 155883990
CID 155883990
CID 155884003
CID 155884003
CID 155884007
CID 155884007
CID 155884058
CID 155884058
CID 155884062
CID 155884062
CID 155884093
CID 155884093
CID 155884103
CID 155884103
CID 155884115
CID 155884115
CID 155884119
CID 155884119
CID 155883971
CID 155883971
CID 155883973
CID 155883973
CID 155883991
CID 155883991

Frequently Asked Questions

What is the IUPAC name of 6-[5-cyclohexyl-4-(hydroxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[5-cyclohexyl-4-(hydroxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 155884107) is 6-[5-cyclohexyl-4-(hydroxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[5-cyclohexyl-4-(hydroxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[5-cyclohexyl-4-(hydroxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one is CC1=C(c2nc(CO)c(C3CCCCC3)o2)C(=O)N2NC(C(F)(F)F)C(c3ccccc3)C2N1.
What is the InChIKey of 6-[5-cyclohexyl-4-(hydroxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NXWRBRMPYVHWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O3/c1-13-17(22-29-16(12-32)19(34-22)15-10-6-3-7-11-15)23(33)31-21(28-13)18(14-8-4-2-5-9-14)20(30-31)24(25,26)27/h2,4-5,8-9,15,18,20-21,28,30,32H,3,6-7,10-12H2,1H3.
What are the key properties of 6-[5-cyclohexyl-4-(hydroxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-[5-cyclohexyl-4-(hydroxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 476.50 g/mol, XLogP of 3.94, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-cyclohexyl-4-(hydroxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 155884107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).